dimethyl 2-butan-2-ylbutanedioate

C10H18O4 — CID 6430903

IUPACdimethyl 2-butan-2-ylbutanedioate
SMILESCCC(C)C(CC(=O)OC)C(=O)OC
InChIInChI=1S/C10H18O4/c1-5-7(2)8(10(12)14-4)6-9(11)13-3/h7-8H,5-6H2,1-4H3
InChIKeyFDOGLQAJSDOFND-UHFFFAOYSA-N
MW202.25 g/mol
LogP1.38
Rot. Bonds5

About dimethyl 2-butan-2-ylbutanedioate

dimethyl 2-butan-2-ylbutanedioate (PubChem CID 6430903) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is dimethyl 2-butan-2-ylbutanedioate.

Molecular Properties

Compound Namedimethyl 2-butan-2-ylbutanedioate
PubChem CID6430903
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Namedimethyl 2-butan-2-ylbutanedioate
SMILESCCC(C)C(CC(=O)OC)C(=O)OC
InChIInChI=1S/C10H18O4/c1-5-7(2)8(10(12)14-4)6-9(11)13-3/h7-8H,5-6H2,1-4H3
InChIKeyFDOGLQAJSDOFND-UHFFFAOYSA-N
XLogP1.38
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of dimethyl 2-butan-2-ylbutanedioate?
The IUPAC name of dimethyl 2-butan-2-ylbutanedioate (CID 6430903) is dimethyl 2-butan-2-ylbutanedioate.
What is the SMILES notation for dimethyl 2-butan-2-ylbutanedioate?
The canonical SMILES for dimethyl 2-butan-2-ylbutanedioate is CCC(C)C(CC(=O)OC)C(=O)OC.
What is the InChIKey of dimethyl 2-butan-2-ylbutanedioate?
The InChIKey is FDOGLQAJSDOFND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4/c1-5-7(2)8(10(12)14-4)6-9(11)13-3/h7-8H,5-6H2,1-4H3.
What are the key properties of dimethyl 2-butan-2-ylbutanedioate?
dimethyl 2-butan-2-ylbutanedioate has a molecular weight of 202.25 g/mol, XLogP of 1.38, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-butan-2-ylbutanedioate is sourced from PubChem (CID 6430903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).